Glycoside
...
GD089750

Name:
None

Formula:
C15H23O8N3S2

Smiles:
CC(C)c1cc2c(N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)ncnc2s1

Aglycone:
CC(C)c1cc2c(N)ncnc2s1.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.6
AlogP: 1.19 Num_rotatable_bonds: 6
MolWt: 437.5 Num_heavy_atoms: 28
TPSA: 177.65 NumAromaticRings: 2

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD33207
Formula: C9H11N3S

Smiles:
CC(C)c1cc2c(N)ncnc2s1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 2.4 Num_rotatable_bonds: 1
MolWt: 193.28 Num_heavy_atoms: 13
TPSA: 51.8 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O